4-[[1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]-hexadecyl-amino]-4-oxidanylidene-2-sulfo-butanoate

Systemtic Name: 4-[[1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]-hexadecyl-amino]-4-oxidanylidene-2-sulfo-butanoate Openeye Name: 4-[(1-carboxy-3-hydroxy-3-oxo-propyl)-hexadecyl-amino]-4-oxo-2-sulfo-butanoate CAS Name: 4-[(1,4-dihydroxy-1,4-dioxobutan-2-yl)-hexadecylamino]-4-oxo-2-sulfobutanoate IUPAC Name: 4-[(1,4-dihydroxy-1,4-dioxobutan-2-yl)-hexadecylamino]-4-oxo-2-sulfobutanoate Traditional Name: 4-[(1-carboxy-3-hydroxy-3-keto-propyl)-cetyl-amino]-4-keto-2-sulfo-butyrate Formula: C24H42NO10S- MolecularWeight: 536.65598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(C(CC(=O)O)C(=O)O)C(=O)CC(C(=O)[O-])S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCN(C(CC(=O)O)C(=O)O)C(=O)CC(C(=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C24H43NO10S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(19(23(29)30)17-22(27)28)21(26)18-20(24(31)32)36(33,34)35/h19-20H,2-18H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34,35)/p-1